SCHEMBL13201635

SCHEMBL13201635

CC[n+]1ccc(/C=C/c2ccc(N(C)CCOOC#CI)c3nonc23)cc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
USP2 O75604 1/20 0.30
APOBEC3A P31941 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13201640 0.81 INSR (0.41) MEN1NPC1USP2RAB9AKMT2A
SCHEMBL61983 0.80 MEN1 (0.35) MEN1NPC1USP2APOBEC3ARAB9A
SCHEMBL13201623 0.68 GAA (0.44) MEN1NPC1USP2APOBEC3ARAB9A
SCHEMBL61432 0.67 GAA (0.46) MEN1NPC1USP2APOBEC3ARAB9A
SCHEMBL61942 0.62 GAA (0.35)
SCHEMBL13263427 0.61 MAPT (0.48) MEN1NPC1RAB9AKMT2A
SCHEMBL13232715 0.61 GAA (0.34)
SCHEMBL61437 0.60 ALDH1A1 (0.35) MEN1USP2KMT2A
SCHEMBL62619 0.60 GAA (0.35)
SCHEMBL62459 0.60 INSR (0.47) MEN1NPC1USP2RAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed